Molecule

ID:43464

General Information
Structure
MolImage
Molecular Formula
C₆HCl₂F₃IN
Molecular Mass
341.8845196
Exact Mass
340.84828706
Charge
0
InChI
InChI=1S/C6HCl2F3IN/c7-3-4(12)2(6(9,10)11)1-13-5(3)8/h1H
InChIKey
PMFWWAIDSTWATK-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1Cl)I)C(F)(F)F
Isomeric Smiles
c1(c(c(c(nc1)Cl)Cl)I)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9906328
LogD (pH = 7.4)
3.9906328
Log P
3.9906328
Molar Refractivity
53.9082
Polarizability
20.477894
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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